![Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate structure](/static/products/1093/109386-73-4.webp)
Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate
TL;DR: Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate (CAS 109386-73-4) is a chemical compound with molecular formula C12H21NO5 and molecular weight 259.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-ethoxycarbonyloxyazepane-1-carboxylate
Also Known As: ethyl 4-ethoxycarbonyloxyazepane-1-carboxylate, 1-Hexahydroazepinecarboxylic acid, 4-ethoxycarbonyloxy-, ethyl ester, Ethyl 4-[(ethoxycarbonyl)oxy]-1-azepanecarboxylate, Ethyl 4-[(ethoxycarbonyl)oxy]azepane-1-carboxylate, Ethyl 4-[(ethoxycarbonyl)oxy]-1-azepanecarboxylate #
| Molecular Formula | C12H21NO5 |
|---|---|
| Molecular Weight | 259.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 259.14197 |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 109386-73-4 |
|---|---|
| SMILES | CCOC(=O)N1CCCC(CC1)OC(=O)OCC |
| InChIKey | ZXGNSILJOBRFEI-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate (CAS 109386-73-4), with molecular formula C12H21NO5 and molecular weight 259.14 g/mol. IUPAC: ethyl 4-ethoxycarbonyloxyazepane-1-carboxylate.
Chemical Property Profile of Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate
Property Insights of Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate?
The CAS number of Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate is 109386-73-4.
What is the molecular formula of Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate?
The molecular formula of Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate is C12H21NO5.
What is the molecular weight of Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate?
The molecular weight of Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate is 259.14 g/mol.
Where can I buy Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate?
You can request a quote for Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.